alpha,beta-Methyleneadenosine 5'-Diphosphate
[CAS# 3768-14-7]

Identification

• Name: alpha,beta-Methyleneadenosine 5'-Diphosphate
• Synonyms: [[(2S,3R,4S,5S)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methylphosphonic Acid; [[(2S,3R,4S,5S)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Methylphosphonic Acid; [[(2S,3R,4S,5S)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Methylphosphonic Acid
• Molecular Formula: C₁₁H₁₇N₅O₉P₂
• Molecular Weight: 425.23
• CAS Registry Number: 3768-14-7
• EINECS: 223-194-0
• SMILES: [C@@H]3([N]2C1=C(C(=NC=N1)N)N=C2)[C@H]([C@@H](O)[C@@H](O3)CO[P](C[P](=O)(O)O)(=O)O)O
• InChI: 1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m0/s1
• InChIKey: OLCWZBFDIYXLAA-RYVZHVEOSA-N

Properties

• Density: 2.354g/cm³ (Cal.)
• Boiling point: 895.557°C at 760 mmHg (Cal.)
• Flash point: 495.415°C (Cal.)